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1457-58-5

Basic Information
CAS No.: 1457-58-5
Name: 2-Methyl-1H-imidazole-4-carboxylic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 1457-58-5 (2-Methyl-1H-imidazole-4-carboxylic acid)
Formula: C5H6N2O2
Molecular Weight: 126.115
Synonyms: 1H-Imidazole-4-carboxylicacid, 2-methyl- (9CI);Imidazole-4(or 5)-carboxylic acid, 2-methyl- (7CI);Imidazole-4-carboxylic acid, 2-methyl- (8CI);2-Methyl-1H-imidazole-4-carboxylic acid;2-Methyl-4-carboxyimidazole;2-Methyl-4-imidazolecarboxylic acid;NSC 109147;
EINECS: 215-943-5
Density: 1.404 g/cm3
Boiling Point: 475.8 °C at 760 mmHg
Flash Point: 241.5 °C
PSA: 65.98000
LogP: 0.41630
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    2-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid Storage:keep sealed and keep from direct light Package:According client's requirements Application:Phar

    Jinan YSPharma Biotechnology Co., Ltd is a large group specializing in contract manufacturing to the pharmaceutical, agrochemical and Fine chemicals with top quality products and s

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  • 1H-Imidazole-5-carboxylicacid, 2-methyl-

  • Casno:

    1457-58-5

    1H-Imidazole-5-carboxylicacid, 2-methyl-

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    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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Specification

The CAS register number of 2-Methyl-1H-imidazole-4-carboxylic acid is 1457-58-5. It also can be called as 1H-Imidazole-5-carboxylicacid, 2-methyl- and the systematic name about this chemical is 2-methyl-1H-imidazole-5-carboxylic acid. The molecular formula about this chemical is C5H6N2O2 and molecular weight is 126.11. It belongs to the following product categories which include Pharmacetical; Heterocycle and so on.

Physical properties about 2-Methyl-1H-imidazole-4-carboxylic acid are: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -3.17; (3)ACD/LogD (pH 7.4): -3.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.12Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 30.53 cm3; (14)Molar Volume: 89.7 cm3; (15)Polarizability: 12.1x10-24cm3; (16)Surface Tension: 71.1 dyne/cm; (17)Enthalpy of Vaporization: 77.89 kJ/mol; (18)Boiling Point: 475.8 °C at 760 mmHg; (19)Vapour Pressure: 7.36E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(n1)C
(2)InChI: InChI=1/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
(3)InChIKey: DTUIYOVMTFYCBZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
(5)Std. InChIKey: DTUIYOVMTFYCBZ-UHFFFAOYSA-N